Select from an Existing Method from Configuration

The DGRL-Hardware toolbox provides the implementation of 21 existing combinations of GNN, GT backbone, message passing direction and positional encoding (PE) incorporation. One can call one of these methods by editing the general configuration (listed in ./configs/general/) and the PE configuration (listed in ./configs/pe/.

An example of the genral config can be as follows:

# general_config.yaml
  model:
    name: BIGAT
    hidden_dim: 192
    num_layers: 3
    node_input_dim: 7
    edge_input_dim: 2
    dropout: 0.2
    mlp_out:
      num_layer: 4

The name of all the implemented backbones are listed in the table below, for a detailed introduction on the interface and implementation of each base model, please refer to Introduction on base DGRL methods:

GNN backbone/transformer	mesage passing	name in config
DGCN DiGCN MagNet GCN GCN GCN GIN(E) GIN(E) GIN(E) GAT GAT GAT GPS-T GPS-T GPS-T GPS-P GPS-P GPS-P	directed directed directed undirected directed bidirected undirected directed bidirected undirected directed bidirected undirected directed bidirected undirected directed bidirected	DGCN DiiGCN MSGNN GCN DIGCN BIGCN GIN(E) DIGIN(E) BIGIN(E) GAT DIGAT BIGAT GPS DIGPS BIGPS PERFORMER DIPERFORMER BIPERFORMER

An example to configure PE is shown as follows:

# pe_config.yaml
  model:
    pe_file_name: maglap_1q_spe
    pe_type: maglap
    q: 0.1
    q_dim: 1
    pe_strategy: invariant_fixed
    pe_encoder: spe
    mag_pe_dim_input: 10
    mag_pe_dim_output: 10
    se_pe_dim_input: 0
    se_pe_dim_output: 0

    eigval_encoder:
      in: 1
      hidden: 32
      out: 8
      num_layer: 3

The table below show the configuration to use for magnetic Laplacian PE with NPE or EPE:

stable	potential q	pe_type	pe_strategy	pe_embedder	example
NPE NPE EPE EPE	q=0 q>0 q=0 q>0	lap maglap lap maglap	variant variant invariant_fixed invariant_fixed	naive naive	./configs/pe/lap10/lap_naive ./configs/pe/maglap10/maglap_1q_naive ./configs/pe/lap10/lap_spe ./configs/pe/maglap10/maglap_1q_spe

The eigval_encoder is used to configure the hyper-parameters of stable PE.